XI5
Summary
| Name: | [(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
| Formula: | C19 H29 N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 412.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H29N2O6P/c1-11(2)10-16(28(25,26)27)18(23)21-17(12(3)4)19(24)20-15-8-6-14(7-9-15)13(5)22/h6-9,11-12,16-17H,10H2,1-5H3,(H,20,24)(H,21,23)(H2,25,26,27)/t16-,17-/m0/s1 |
| InChIKey | InChI | 1.06 | NDYKWZBIJQYUHB-IRXDYDNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(cc1)C(C)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(cc1)C(C)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)NC(C(C)C)C(=O)Nc1ccc(cc1)C(=O)C)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(C(C)C)C(=O)Nc1ccc(cc1)C(=O)C)P(=O)(O)O |
